HRID2316815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

3 次

HCID6342

Acetonitrile

C2H3N

HCID28486

Lithium ion

Li+

HCID123351

Perchlorate

ClO4-

HCID14706449

1-((2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl)methyl)-1H-1,2,4-triazole

C12H11F2N3O

HCID57980721

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C2=CCN(C(C)C(O)(Cn3cncn3)c3ccc(F)cc3F)CC2)nc1C

HCID178423820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7879d6fe68e341e9b1faa10e5638a5a4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:19][c:20]1[cH:21][cH:22][c:23]([C:27]2=[CH:32][CH2:31][NH:30][CH2:29][CH2:28]2)[n:24][c:25]1[CH3:26].[CH3:42][C:43]#[N:44].[Cl+3:36]([O-:37])([O-:38])([O-:39])[O-:40].[F:1][c:2]1[c:3]([C:9]2([CH2:13][n:14]3[n:15][cH:16][n:17][cH:18]3)[O:10][CH:11]2[CH3:12])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[Li+:41].[OH2:33].[OH2:34].[OH2:35]>>[F:1][c:2]1[c:3]([C:9]([OH:10])([CH:11]([CH3:12])[N:30]2[CH2:29][CH2:28][C:27]([c:23]3[cH:22][cH:21][c:20]([CH3:19])[c:25]([CH3:26])[n:24]3)=[CH:32][CH2:31]2)[CH2:13][n:14]2[n:15][cH:16][n:17][cH:18]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1